5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid

C11H13N3O5S — CID 62804690

IUPAC5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1[nH]ncc1CNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H13N3O5S/c1-6-8(4-12-14-6)5-13-20(17,18)10-3-9(11(15)16)19-7(10)2/h3-4,13H,5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyQWBSJYDKKCVPTB-UHFFFAOYSA-N
MW299.31 g/mol
LogP0.80
Rot. Bonds5

About 5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid

5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid (PubChem CID 62804690) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
PubChem CID62804690
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
SMILESCc1[nH]ncc1CNS(=O)(=O)c1cc(C(=O)O)oc1C
InChIInChI=1S/C11H13N3O5S/c1-6-8(4-12-14-6)5-13-20(17,18)10-3-9(11(15)16)19-7(10)2/h3-4,13H,5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyQWBSJYDKKCVPTB-UHFFFAOYSA-N
XLogP0.80
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid (CID 62804690) is 5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid is Cc1[nH]ncc1CNS(=O)(=O)c1cc(C(=O)O)oc1C.
What is the InChIKey of 5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
The InChIKey is QWBSJYDKKCVPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-6-8(4-12-14-6)5-13-20(17,18)10-3-9(11(15)16)19-7(10)2/h3-4,13H,5H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 62804690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).